CID 172023

67939-87-1

Structural Information

Molecular Formula
C18H19F22N2O8PS2
SMILES
CCN(CCOP(=O)(O)OCCN(CC)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C18H19F22N2O8PS2/c1-3-41(52(45,46)17(37,38)13(27,28)9(19,20)11(23,24)15(31,32)33)5-7-49-51(43,44)50-8-6-42(4-2)53(47,48)18(39,40)14(29,30)10(21,22)12(25,26)16(34,35)36/h3-8H2,1-2H3,(H,43,44)
InChIKey
RJFPABCSTACHQG-UHFFFAOYSA-N
Compound name
bis[2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]ethyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

903.9969 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 905.00418 152.9
[M+Na]+ 926.98612 152.9
[M+NH4]+ 922.03072 152.9
[M+K]+ 942.96006 152.9
[M-H]- 902.98962 152.9
[M+Na-2H]- 924.97157 152.9
[M]+ 903.99635 152.9
[M]- 903.99745 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.